UCSF

ZINC43417378

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.72 4.08 -44.9 4 4 1 60 272.457 10
Mid Mid (pH 6-8) 1.72 4.78 -32.06 4 4 1 60 272.457 10

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )